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MMsINC code: MMs03131876

Type: Neutral
Formula: C₁₄H₂₉NO₆

SMILES:

OC(C(O)C(O)CO)C(O)CN(C(=O)CCCCCC)C

InChI:

InChI=1/C14H29NO6/c1-3-4-5-6-7-12(19)15(2)8-10(17)13(20)14(21)11(18)9-16/h10-11,13-14,16-18,20-21H,3-9H2,1-2H3/t10-,11-,13-,14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2601 kcal/mol

Physical Properties
Molecular Weight: 307.387 g/mol	logS: -0.91443	SlogP: -1.1489	Reactive groups: 0

Topological Properties
Globularity: 0.0339137	Sterimol/B1: 2.42879	Sterimol/B2: 2.96946	Sterimol/B3: 3.6039
Sterimol/B4: 7.0768	Sterimol/L: 19.9441

Surface and Volume Properties
Accessible surface: 599.655	Positive charged surface: 465.544	Negative charged surface: 134.111	Volume: 306.375
Hydrophobic surface: 370.077	Hydrophilic surface: 229.578

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 4

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.